(E)-3-[3-(4-butoxy-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-prop-2-enyl-prop-2-enamide

Systemtic Name: (E)-3-[3-(4-butoxy-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-prop-2-enyl-prop-2-enamide Openeye Name: (E)-N-allyl-3-[3-(4-butoxy-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-prop-2-enamide CAS Name: (E)-3-[3-(4-butoxy-2-methylphenyl)-1-phenyl-4-pyrazolyl]-2-cyano-N-prop-2-enyl-2-propenamide IUPAC Name: (E)-3-[3-(4-butoxy-2-methylphenyl)-1-phenylpyrazol-4-yl]-2-cyano-N-prop-2-enylprop-2-enamide Traditional Name: (E)-N-allyl-3-[3-(4-butoxy-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-acrylamide Formula: C27H28N4O2 MolecularWeight: 440.53682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NCC=C)C3=CC=CC=C3)C

Isomeric SMILES

CCCCOC1=CC(=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)NCC=C)C3=CC=CC=C3)C

InChI

InChI=1S/C27H28N4O2/c1-4-6-15-33-24-12-13-25(20(3)16-24)26-22(17-21(18-28)27(32)29-14-5-2)19-31(30-26)23-10-8-7-9-11-23/h5,7-13,16-17,19H,2,4,6,14-15H2,1,3H3,(H,29,32)/b21-17+